Imperial College London
Portrait Picture

Professor David W. McComb

Faculty of Engineering, Department of Materials

Adjunct Professor
 
 
 
//

Contact

 

+44 (0)20 7594 6750d.mccomb Website

 
 
//

Location

 

Royal School of MinesSouth Kensington Campus

//

Summary

 

Publications

Citation

BibTex format

@article{Liu:2022:10.1021/acs.inorgchem.2c03212,
author = {Liu, Q and Hoefer, N and Berkbigler, G and Cui, Z and Liu, T and Co, AC and McComb, DW and Wade, CR},
doi = {10.1021/acs.inorgchem.2c03212},
journal = {Inorg Chem},
pages = {18710--18718},
title = {Strong CO2 Chemisorption in a Metal-Organic Framework with Proximate Zn-OH Groups.},
url = {http://dx.doi.org/10.1021/acs.inorgchem.2c03212},
volume = {61},
year = {2022}
}
Download

RIS format (EndNote, RefMan)

TY  - JOUR
AB  - A novel Zn benzotriazolate metal-organic framework (MOF), [Zn9(OAc)6(bbtm)6] (1, bbtm2- = bis(benzotriazolyl)methanone, OAc- = acetate), has been synthesized and structurally characterized using micro-crystal electron diffraction. The framework contains 12-connected nonanuclear Zn clusters with Zn-OAc groups separated by short intercluster Zn···Zn distances of 6.06 Å. Postsynthetic OAc-/OH- ligand exchange followed by thermal activation generates 1a-OH, which adsorbs CO2 at very low pressures (1.37 mmol/g at 2.5 mbar) and requires an unusually high desorption temperature (>160 °C). Diffuse reflectance IR Fourier transform spectroscopy (DRIFTS) and density functional theory (DFT) calculations have been used to interrogate the CO2 binding mechanism in 1a-OH. The formation of unsymmetric bridging carbonate ligands within the Zn···Zn pockets accompanied by strong hydrogen bonding of the carbonate with a neighboring zinc aqua ligand explains the remarkably strong CO2 affinity of 1a-OH.
AU  - Liu,Q
AU  - Hoefer,N
AU  - Berkbigler,G
AU  - Cui,Z
AU  - Liu,T
AU  - Co,AC
AU  - McComb,DW
AU  - Wade,CR
DO  - 10.1021/acs.inorgchem.2c03212
EP  - 18718
PY  - 2022///
SP  - 18710
TI  - Strong CO2 Chemisorption in a Metal-Organic Framework with Proximate Zn-OH Groups.
T2  - Inorg Chem
UR  - http://dx.doi.org/10.1021/acs.inorgchem.2c03212
UR  - https://www.ncbi.nlm.nih.gov/pubmed/36356166
VL  - 61
ER  -
Download